Molecule FYI-1010202

A

Molecule Summary:

ID: FYI-1010202
Names:
InChIKey: SCVGLVGTMYJVOI-OJDRMXCGSA-N
SMILES: CCC1/C=C\\C=C/CC(C)C(O)C(C)(O)C(=O)C(C)C(O)C(C)C(=O)C(C)C(O)C(C)/C=C\\C(=O)OC3C(C)C(CC1O)OC2(CCC(C)C(CC(C)O)O2)C3C

Received at FYIcenter.com on: 2024-06-02

Molecule ID: FYI-1010202 Edit

Molecule Structure InChIKey: SCVGLVGTMYJVOI-OJDRMXCGSA-N

Molecule Structure SMILES String: CCC1/C=C\C=C/CC(C)C(O)C(C)(O)C(=O)C(C)C(O)C(C)C(=O)C(C)C(O)C(C)/C=C\C(=O)OC3C(C)C(CC1O)OC2(CCC(C)C(CC(C)O)O2)C3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1010202
FYIcenter.com

 57 59  0  0  0  0  0  0  0  0999 V2000
   13.4951   15.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3507   14.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4626   12.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8520   12.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1876   12.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3918   11.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3947   10.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1379    9.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5783    8.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6901    6.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4671    5.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9221    4.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7534    1.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2255    9.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4297    9.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4297   11.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8440   12.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1002   12.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6598   13.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2255   11.8176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0211   11.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0211    9.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8169    9.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0211   12.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8169   13.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127   12.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127   11.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8169   10.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   10.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   11.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   12.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4085   13.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6339    9.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6263    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1208    0.5495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7785    0.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1936    0.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7528    1.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0895    2.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4303    4.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8171    5.8633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0795    6.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9407    8.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
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 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
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 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
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 31 30  1  0  0  0  0
 31  3  1  0  0  0  0
 32 31  1  0  0  0  0
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 54 11  1  0  0  0  0
 55 11  1  0  0  0  0
 56 10  1  0  0  0  0
 57  9  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-07-11, 1176👍, 0💬